input word = C00040655

Metabolite InformationStructural formula
Name Withangulatin D
(-)-Withangulatin D
Formula C29H44O10
Mw 552.29344763
CAS RN 946074-80-2
C_ID C00040655 ,
InChIKey GLIWPQHNZJTEGA-DBEKXLNMNA-N
InChICode InChI=1S/C29H44O10/c1-14-11-21(39-23(33)15(14)2)26(5,34)27(35)13-22(38-6)28(36)17-12-20(32)29(37)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31-32,34-37H,7-13H2,1-6H3/t16-,17+,19-,20+,21+,22-,24-,25-,26+,27-,28-,29-/m0/s1
SMILES C1C[C@@H]([C@]2([C@](C1=O)([C@@H]1[C@@H](C[C@H]2O)[C@]2([C@@](CC1)([C@](C[C@@H]2OC)(O)[C@]([C@H]1CC(=C(C(=O)O1)C)C)(C)O)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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